Understanding and optimization of chemical reactor performance for bimodal reaction sequences

The relative contributions of heterogeneously catalyzed and homogeneous bulk phase reactions in bimodal reaction sequences have been assessed via 1D reactor simulations. Starting from a reaction network only comprising two parallel, irreversible heterogeneously catalyzed and homogeneous bulk phase steps, complementary consecutive steps were included with the option of being reversible. The final product formed after a minimum number of homogeneous bulk phase reactions is obtained with high yields in continuous flow fixed bed reactors. The products obtained after a higher number of homogeneous bulk phase reactions generally dominate in slurry reactors. Yields of the latter may exhibit an optimum as a function of the catalyst amount in the reactor. The adsorption enthalpies of the intermediates in the reaction network critically determine the position and shape of this maximum. The reversibility of the homogeneous bulk phase steps provides specific opportunities to tune the product yields in bimodal reaction sequences. © 2016 American Institute of Chemical Engineers AIChE J, 63: 111–119, 2017